SCHEMBL1620263

SCHEMBL1620263

COc1ccc(C=O)cc1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.66
TSHR P16473 1/20 0.66
FDPS P14324 1/20 0.53
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51
HPGD P15428 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
TTR P02766 1/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A3 P47895 1/20 0.44
MEN1 O00255 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6131820 0.94 ALDH1A1 (0.66) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL30275490 0.94 ALDH1A1 (0.66) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL3689377 0.81 ALDH1A1 (0.43) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL3925274 0.81 ALDH1A1 (0.43) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL2698284 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL25219234 0.81 ALDH1A1 (0.47) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL25273919 0.81 ALDH1A1 (0.43) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL3925646 0.81 ALDH1A1 (0.43) ALDH1A1TSHRFDPSAOX1TRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.80 ALDH1A1 (1.00) ALDH1A1TSHRFDPSAOX1TRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.80 ALDH1A1 (1.00) ALDH1A1TSHRFDPSAOX1TRIM24

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 ALDH1A1 701/4885TSHR 133/4885FDPS 4659/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALDH1A1 905/4885TSHR 152/4885FDPS 4656/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885TSHR 104/4885FDPS 4229/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.